SRT3109 , CAS No.1204707-71-0

CAS: 1204707-71-0 Cat. No.: S127704 Fórmula: C₁₈H₂₃F₂N₅O₄S₂ Peso molecular: 475.53 PubChem CID: 44602493

Synonyms

N-(2-(((2,3-Difluorophenyl)methyl)thio)-6-(((1R,2R)-2,3-dihydroxy-1-methylpropyl)amino)-4-pyrimidinyl)-1-azetidinesulfonamide | Azd 5122 | n-(2-((2,3-difluorobenzyl)sulfanyl)-6-((2r,3r)-3,4-dihydroxy-2-butanylamino)-4-pyrimidinyl)-1-azetidinesulfonamide |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

N-(2-(((2,3-Difluorophenyl)methyl)thio)-6-(((1R,2R)-2,3-dihydroxy-1-methylpropyl)amino)-4-pyrimidinyl)-1-azetidinesulfonamide | Azd 5122 | n-(2-((2,3-difluorobenzyl)sulfanyl)-6-((2r,3r)-3,4-dihydroxy-2-butanylamino)-4-pyrimidinyl)-1-azetidinesulfonamide |

Mecanismos bioquímicos y fisiológicos

SRT3109 is a CXCR2 ligand for use in the treatment of chemokine mediated diseases and conditions.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CC(C(CO)O)NC1=CC(=NC(=N1)SCC2=C(C(=CC=C2)F)F)NS(=O)(=O)N3CCC3
• IUPAC Name: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2R,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide
• InChIKey: QVKPEMXUBULFBM-RISCZKNCSA-N
• INCHI: 1S/C18H23F2N5O4S2/c1-11(14(27)9-26)21-15-8-16(24-31(28,29)25-6-3-7-25)23-18(22-15)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,26-27H,3,6-7,9-10H2,1H3,(H2,21,22,23,24)/t11-,14+/m1/s1
• Isómeros SMILES: C[C@H]([C@H](CO)O)NC1=CC(=NC(=N1)SCC2=C(C(=CC=C2)F)F)NS(=O)(=O)N3CCC3
• PubChem CID: 44602493
• Peso molecular: 475.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Secondary alkylarylamines Alkylarylthioethers Aminopyrimidines and derivatives Fluorobenzenes Sulfuric acid diamides Imidolactams Aryl fluorides Heteroaromatic compounds Secondary alcohols 1,2-diols Azetidines Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Aminopyrimidine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Sulfuric acid diamide - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - 1,2-diol - Azetidine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Secondary amine - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: DMSO
• Peso molecular: 475.500 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 475.116 Da
• Monoisotopic Mass: 475.116 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 670.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1204707-71-0, the molecular formula is C18H23F2N5O4S2, and the molecular weight is 475.53 g/mol. InChIKey QVKPEMXUBULFBM-RISCZKNCSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.